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CS-W001157 4
Total: USD 88.00

4-Amino-2-(trifluoromethyl)benzoic acid

  • CAS No. 393-06-6

  • Cat. No. CS-W003040
  • Purity≥98%
  • MDL No.MFCD03407959

*For research and further manufacturing use only, not for direct human use.

4-Amino-2-(trifluoromethyl)benzoic acid|CS-W003040

Structure of 393-06-6

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General Information

  • CAS No. 393-06-6
  • Cat. No. CS-W003040
  • Purity ≥98%
  • MDL No. MFCD03407959
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NO₂
  • Molecular Weight 205.13
  • Synonym(s) Benzoic acid, 4-amino-2-(trifluoromethyl)-
  • SMILES O=C(O)C1=CC=C(N)C=C1C(F)(F)F

Description

4-Amino-2-(trifluoromethyl)benzoic acid features a strategically positioned trifluoromethyl group enhancing electron-withdrawal and metabolic stability, while the para-amino substituent provides a reactive handle for conjugation. This dual-functional architecture enables integration into bioconjugates, pharmaceutical intermediates, and functional materials under standard conditions.

Application

4-Amino-2-(trifluoromethyl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its amino and carboxylic acid functionalities offer orthogonal reactivity for peptide coupling, amidation, and electrophilic substitution. The electron-withdrawing trifluoromethyl group enhances metabolic stability and modulates electronic properties, while the compound exhibits good bench stability and ease of purification in standard synthetic workflows.

Synthesis

  • Route1

    References

    • Hauptschein et al. Journal of the American Chemical Society, 1954 , vol. 76, p. 1051,1054
  • Route2

    References

    • Hauptschein et al. Journal of the American Chemical Society, 1954 , vol. 76, p. 1051,1054

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.32
  • LogP   1.9858
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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